5-(Hydroxymethyl)-6-iodo-1,3-benzodioxole - CAS 69048-76-6
Catalog: |
BB033684 |
Product Name: |
5-(Hydroxymethyl)-6-iodo-1,3-benzodioxole |
CAS: |
69048-76-6 |
Synonyms: |
(6-iodo-1,3-benzodioxol-5-yl)methanol; (6-iodo-1,3-benzodioxol-5-yl)methanol |
IUPAC Name: | (6-iodo-1,3-benzodioxol-5-yl)methanol |
Description: | 5-(Hydroxymethyl)-6-iodo-1,3-benzodioxole (CAS# 69048-76-6 ) is a useful research chemical. |
Molecular Weight: | 278.04 |
Molecular Formula: | C8H7IO3 |
Canonical SMILES: | C1OC2=C(O1)C=C(C(=C2)CO)I |
InChI: | InChI=1S/C8H7IO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-2,10H,3-4H2 |
InChI Key: | ODGKHOUSPOCIMB-UHFFFAOYSA-N |
Boiling Point: | 357.4 °C at 760 mmHg |
Density: | 2.036 g/cm3 |
LogP: | 1.51220 |
Publication Number | Title | Priority Date |
KR-101713638-B1 | Novel pyrrolo pyrimidine derivatives and composition for preventing or treating cancer comprising the same | 20141118 |
KR-20160059366-A | Novel pyrrolo pyrimidine derivatives and composition for preventing or treating cancer comprising the same | 20141118 |
EP-2183221-A1 | New compounds as hsp90 inhibitors | 20070712 |
US-2010240656-A1 | Compounds as hsp90 inhibitors | 20070712 |
WO-2009007399-A1 | New compounds as hsp90 inhibitors | 20070712 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.94399 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.94399 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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